SCHEMBL6200550

SCHEMBL6200550

CC(C)CCNS(=O)(=O)c1cc(F)cc2c(O)c(C(=O)NCc3ccc(Cl)cc3)cnc12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.44
LMNA P02545 1/20 0.40
CNR2 P34972 1/20 0.40
EGLN1 Q9GZT9 1/20 0.39
NR3C1 P04150 1/20 0.38
HTT P42858 1/20 0.38
TUBB P07437 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A1 P04798 1/20 0.37
HPGD P15428 1/20 0.37
CXCR4 P61073 1/20 0.36
CCR1 P32246 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER2 P43116 1/20 0.36
IDH1 O75874 1/20 0.36
POLA1 P09884 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6201656 0.90 MCL1 (0.44) MCL1LMNAEGLN1NR3C1TUBB
SCHEMBL6199074 0.90 MCL1 (0.44) MCL1LMNACNR2EGLN1NR3C1
SCHEMBL6199253 0.90 MCL1 (0.44) MCL1LMNACNR2EGLN1NR3C1
SCHEMBL6201979 0.90 MCL1 (0.52) MCL1LMNACNR2EGLN1NR3C1
SCHEMBL6202255 0.89 MCL1 (0.44) MCL1LMNACNR2EGLN1NR3C1
SCHEMBL6203244 0.89 MCL1 (0.42) MCL1LMNACNR2EGLN1NR3C1
SCHEMBL6202413 0.89 MCL1 (0.43) MCL1LMNACNR2EGLN1NR3C1
SCHEMBL6202657 0.88 LMNA (0.42) MCL1LMNACNR2EGLN1NR3C1
SCHEMBL6201356 0.88 MCL1 (0.41) MCL1LMNACNR2EGLN1NR3C1
SCHEMBL6201234 0.87 MCL1 (0.42) MCL1LMNACNR2EGLN1NR3C1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042295-B1 4-HYDROXYQUINOLINE-3-CARBOXAMIDES AND HYDRAZIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN CO LLC (US) 2005-09-07 EP claimed